Home >> Chemicals Listing >> hot product list by 3  

3,5-Dimethyl-1-(4-nitrophenyl)piperazine (331652-58-5)

Identification
Name:3,5-Dimethyl-1-(4-nitrophenyl)piperazine
Synonyms:piperazine, 3,5-dimethyl-1-(4-nitrophenyl)-;
CAS:331652-58-5
Molecular Formula: C12H17N3O2
Molecular Weight: 235.28
InChI: InChI=1/C12H17N3O2/c1-9-7-14(8-10(2)13-9)11-3-5-12(6-4-11)15(16)17/h3-6,9-10,13H,7-8H2,1-2H3
Molecular Structure: (C12H17N3O2) piperazine, 3,5-dimethyl-1-(4-nitrophenyl)-;
Properties
Flash Point: 191.9°C
Boiling Point: 393.7°C at 760 mmHg
Density:1.122
Refractive index:1.54
Specification:

The 3,5-Dimethyl-1-(4-nitrophenyl)piperazine with the CAS number 331652-58-5 is also called piperazine, 3,5-dimethyl-1-(4-nitrophenyl)-. Its molecular formula is C12H17N3O2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 52.3 Å2; (7)Index of Refraction: 1.54; (8)Molar Refractivity: 65.76 cm3; (9)Molar Volume: 209.5 cm3; (10)Polarizability: 26.07×10-24cm3; (11)Surface Tension: 38.5 dyne/cm ; (12)Enthalpy of Vaporization: 64.36 kJ/mol; (13)Vapour Pressure: 2.09×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)N2CC(NC(C2)C)C
(2)InChI: InChI=1/C12H17N3O2/c1-9-7-14(8-10(2)13-9)11-3-5-12(6-4-11)15(16)17/h3-6,9-10,13H,7-8H2,1-2H3
(3)InChIKey: UBLZWKCJZSDBGQ-UHFFFAOYAS

Flash Point: 191.9°C
Safety Data